SCHEMBL17774922

SCHEMBL17774922

COCC(C)N(C)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NOS2 P35228 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SYK P43405 3/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17774948 0.85 IKBKB (0.40) HTTALDH1A1HPGDIKBKBMAPT
SCHEMBL17779228 0.82 IKBKB (0.38) HTTALDH1A1HPGDIKBKBMAPT
SCHEMBL17774940 0.81 IKBKB (0.44) HTTALDH1A1HPGDRAB9AIKBKB
SCHEMBL17779273 0.80 IKBKB (0.34) HTTALDH1A1HPGDRAB9AIKBKB
SCHEMBL17774923 0.79 IKBKB (0.35) HTTALDH1A1HPGDRAB9AIKBKB
SCHEMBL17774976 0.78 IKBKB (0.39) HTTALDH1A1HPGDRAB9AIKBKB
SCHEMBL17779285 0.76 IKBKB (0.40) HTTALDH1A1HPGDIKBKBMAPT
SCHEMBL17774933 0.76 IKBKB (0.37) ALDH1A1HPGDIKBKBMAPTKDM4E
SCHEMBL17779275 0.75 IKBKB (0.35) HTTALDH1A1HPGDRAB9AIKBKB
SCHEMBL17774977 0.74 IGLV6-57 (0.41) HTTALDH1A1HPGDIKBKBMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR HTT 4143/4885ALDH1A1 440/4885HPGD 588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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